ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Mass ✕ no_equ_12 ✕ no_equ_3 ✕ Username ✕ no_equ_5 ✕
1 Cu54Li 3438.424 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 hecc ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040
2 BeCu54 3440.496 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 hecc ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935
3 Cu54B 3442.294 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 hecc ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579
4 Cu54C 3443.495 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 hecc ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223
5 Cu54N 3445.491 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 hecc ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655
6 Cu54O 3447.483 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 hecc ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283
7 Cu54F 3450.482 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 hecc ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212
8 Cu54Ar 3471.432 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 hecc ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014